SCHEMBL4682329

SCHEMBL4682329

C=CCC(C(=O)O)C(CC=C)(C(=O)O)P(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CPA1 P15085 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3804586 0.98 GRIK1 (0.32) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL3804588 0.73
SCHEMBL4562097 0.71 GRIK1 (0.36) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL661884 0.70 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL7600439 0.69 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL15288867 0.69 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL8731754 0.68 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL7596861 0.68 GRIK1 (0.41) GRIK1GRIK2CYP2C19CPA1
SCHEMBL88777 0.68 CYP2C19 (0.34) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL7784551 0.68 GRIK1 (0.32) GRIK1GRIK2CYP2C19ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897921-A1 COATING COMPOSITION, PROCESS FOR PRODUCTION THEREOF, RESIN MOLDINGS AND PROCESS FOR PRODUCTION OF THE MOLDINGS Mitsubishi Chemical Corporation (JP) 2008-03-12 EP disclosed